Geometry & MOs

Info

ID:	400641
PubChem CID:	135048572
Reduced:	O5C16H24 (1)
Stoich.:	A5B16C24 (1)
Weight, g/mol:	330.201737
ΔH_f, kcal/mol:	-230.17
Dipole, Da:	4.59
IP(EA), eV:	-10.12(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,6Z,10S)-3-methyl-11-phenylsulfanyl-10-propan-2-ylbicyclo[5.3.1]undec-6-en-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCCC1=O)CC(=C)COC(=O)C

DOS

IR

Vibrations